4-(2-hydroxyethoxy)-1H-pyrimidin-6-one

C6H8N2O3 — CID 103240761

IUPAC4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCO)nc[nH]1
InChIInChI=1S/C6H8N2O3/c9-1-2-11-6-3-5(10)7-4-8-6/h3-4,9H,1-2H2,(H,7,8,10)
InChIKeyMLZIUTYXGPEVFE-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.86
Rot. Bonds3

About 4-(2-hydroxyethoxy)-1H-pyrimidin-6-one

4-(2-hydroxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103240761) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
PubChem CID103240761
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCO)nc[nH]1
InChIInChI=1S/C6H8N2O3/c9-1-2-11-6-3-5(10)7-4-8-6/h3-4,9H,1-2H2,(H,7,8,10)
InChIKeyMLZIUTYXGPEVFE-UHFFFAOYSA-N
XLogP-0.86
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-hydroxyethoxy)-1H-pyrimidin-6-one (CID 103240761) is 4-(2-hydroxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-hydroxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-hydroxyethoxy)-1H-pyrimidin-6-one is O=c1cc(OCCO)nc[nH]1.
What is the InChIKey of 4-(2-hydroxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is MLZIUTYXGPEVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c9-1-2-11-6-3-5(10)7-4-8-6/h3-4,9H,1-2H2,(H,7,8,10).
What are the key properties of 4-(2-hydroxyethoxy)-1H-pyrimidin-6-one?
4-(2-hydroxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 156.14 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).